Captopril
341
Reference
Captopril Structure
Systematic / IUPAC Name: 1-(2-Methyl-3-sulfanylpropanoyl)proline
ID: Reference341
Other Names:
1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid;
D-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
Formula: C9H15NO3S
Class: Therapeutics/Prescription Drugs
Spectral Data
Captopril mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 2 |
| No. of Spectra | 292 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/18/2014 4:32:16 PM |
Identificators
| InChI | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13) |
| InChI Key | FAKRSMQSSFJEIM-UHFFFAOYSA-N |
| Canonical SMILES | O=C(O)C1N(C(=O)C(C)CS)CCC1 |
| CAS | 62571862 |
| Splash | |
| Other Names |
1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid; D-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]- |